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Name	L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),hydrate	EINECS	N/A
CAS No.	70601-54-6	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₇₄H₉₇N₁₃O₁₃•C₂H₄O₂•H₂O	Boiling Point	N/A
Molecular Weight	1454.92	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	A reproductive hazard.
Synonyms	N/A

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),hydrate Chemical Properties

Molecule structure of L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),hydrate (CAS NO.70601-54-6):

IUPAC Name: Acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2,3,4,5,
6-pentamethylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Molecular Weight: 1436.69324 g/mol
Molecular Formula: C₇₆H₁₀₁N₁₃O₁₅
H-Bond Donor: 13
H-Bond Acceptor: 20
Rotatable Bond Count: 35
Tautomer Count: 128
Exact Mass: 1435.75401
MonoIsotopic Mass: 1435.75401
Topological Polar Surface Area: 435
Heavy Atom Count: 104
Complexity: 2700
Defined Atom StereoCenter Count: 8
Canonical SMILES: CCN1CCCC1C(=O)N(C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Isomeric SMILES: CCN1CCC[C@H]1C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
InChI: InChI=1S/C74H97N13O13.C2H4O2/c1-9-86-33-19-27-64(86)72(97)87(70(95)58(26-18-32-78-73(76)77)80-66(91)59(34-43(2)3)81-65(90)56(75)37-55-47(7)45(5)44(4)46(6)48(55)8)71(96)61(35-49-28-30-53(31-29-49)99-41-50-20-12-10-13-21-50)83-68(93)62(39-88)84-67(92)60(36-52-38-79-57-25-17-16-24-54(52)57)82-69(94)63(40-89)85-74(98)100-42-51-22-14-11-15-23-51;1-2(3)4/h10-17,20-25,28-31,38,43,56,58-64,79,88-89H,9,18-19,26-27,32-37,39-42,75H2,1-8H3,(H,80,91)(H,81,90)(H,82,94)(H,83,93)(H,84,92)(H,85,98)(H4,76,77,78);1H3,(H,3,4)/t56-,58+,59+,60+,61+,62+,63+,64+;/m1./s1
InChIKey of L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),hydrate (CAS NO.70601-54-6): XZNOAJGEIWJQLM-UNTJDBLHSA-N

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),hydrate Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.

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