2-[2-[[2-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[[2-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-3-mercapto-propionic acid Formula: C38H55N11O10S2 MolecularWeight: 890.041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N

Isomeric SMILES

CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N

InChI

InChI=1S/C38H55N11O10S2/c1-21(31(52)49-29(20-61)37(58)59)44-36(57)28(18-50)45-30(51)17-43-33(54)26(15-22-9-4-2-5-10-22)47-35(56)27(16-23-11-6-3-7-12-23)48-34(55)25(13-8-14-42-38(40)41)46-32(53)24(39)19-60/h2-7,9-12,21,24-29,50,60-61H,8,13-20,39H2,1H3,(H,43,54)(H,44,57)(H,45,51)(H,46,53)(H,47,56)(H,48,55)(H,49,52)(H,58,59)(H4,40,41,42)