5-[bis(azanyl)methylideneamino]-2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-N-phenethyl-pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-N-phenethyl-pentanamide Openeye Name: 5-guanidino-2-[[5-guanidino-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-N-phenethyl-pentanamide CAS Name: 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[3-mercapto-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-1-oxopentyl]amino]-N-phenethylpentanamide IUPAC Name: 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanylpropanoyl]amino]pentanoyl]amino]-N-phenethylpentanamide Traditional Name: 5-guanidino-2-[[5-guanidino-2-[[3-mercapto-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanoyl]amino]-N-phenethyl-valeramide Formula: C37H50N10O4S MolecularWeight: 730.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C37H50N10O4S/c38-36(39)43-20-7-13-29(33(49)42-22-19-25-9-3-1-4-10-25)46-34(50)30(14-8-21-44-37(40)41)47-35(51)31(24-52)45-32(48)23-26-15-17-28(18-16-26)27-11-5-2-6-12-27/h1-6,9-12,15-18,29-31,52H,7-8,13-14,19-24H2,(H,42,49)(H,45,48)(H,46,50)(H,47,51)(H4,38,39,43)(H4,40,41,44)