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1481-70-5

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Basic Information
CAS No.: 1481-70-5
Name: Cyclo(D-Phe-Pro-Phe-D-Phe-Asn-Gln-Tyr-Val-Orn-Leu-)
Article Data: 11
Molecular Structure:
Molecular Structure of 1481-70-5 (Cyclo(D-Phe-Pro-Phe-D-Phe-Asn-Gln-Tyr-Val-Orn-Leu-))
Formula: C66H87 N13 O13
Molecular Weight: 1270.5
Synonyms: TyrocidineA (7CI,8CI); Pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontine,cyclic peptide deriv.;Cyclo(L-phenylalanyl-D-phenylalanyl-L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl);Streptocidin O; Tyrocidin A
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 414.64000
LogP: 4.61050
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Chemistry

Product Name: Tyrocidine A 
CAS Registry Number: 1481-70-5 
Synonyms: Graminic acid ; Tyrocidine A, hydrochloride 
Molecular Weight: 1270.47628 [g/mol]
Molecular Formula: C66H87N13O13
XLogP3-AA: 2.4
H-Bond Donor: 13
H-Bond Acceptor: 15 
Surface Tension: 72.3 dyne/cm
Density: 1.33 g/cm3
Flash Point: 940 °C
Enthalpy of Vaporization: 265.38 kJ/mol
Boiling Point: 1630.6 °C at 760 mmHg
Following is the molecular structure of Tyrocidine A (CAS NO.1481-70-5) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 intravenous 15mg/kg (15mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 oral 1gm/kg (1000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

Descriptors computed from structure, you can know some information about Tyrocidine A (CAS NO.1481-70-5) :
Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C=O)NC(=O)C(CCCN)NC(=O)C(C(=C)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N
Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(=C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N
InChI: InChI=1S/C66H87N13O13/c1-39(2)32-50(62(88)77-53(36-43-20-12-7-13-21-43)66(92)79-31-15-23-54(79)64(90)76-51(34-42-18-10-6-11-19-42)61(87)71-45(38-80)33-41-16-8-5-9-17-41)74-59(85)48(22-14-30-67)73-65(91)57(40(3)4)78-63(89)52(35-44-24-26-46(81)27-25-44)75-60(86)49(28-29-55(69)82)72-58(84)47(68)37-56(70)83/h5-13,16-21,24-27,38-39,45,47-54,57,81H,3,14-15,22-23,28-37,67-68H2,1-2,4H3,(H2,69,82)(H2,70,83)(H,71,87)(H,72,84)(H,73,91)(H,74,85)(H,75,86)(H,76,90)(H,77,88)(H,78,89)/t45-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1
InChIKey: RNYCIGPDZRCZCZ-RGCPQTOTSA-N