2-[[2-[2-[[2-[2-[[6-azanyl-2-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethanoylamino]hexanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-[[2-[2-[[6-azanyl-2-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethanoylamino]hexanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-[[2-[2-[[6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-[[2-[2-[[6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-[[2-[2-[[6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C42H61N13O10 MolecularWeight: 908.01484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)N

Isomeric SMILES

CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)N

InChI

InChI=1S/C42H61N13O10/c1-24(51-39(62)31(14-7-8-16-43)52-34(57)21-49-37(60)28(44)23-56)36(59)54-30(15-9-17-47-42(45)46)38(61)50-22-35(58)53-32(19-26-20-48-29-13-6-5-12-27(26)29)40(63)55-33(41(64)65)18-25-10-3-2-4-11-25/h2-6,10-13,20,24,28,30-33,48,56H,7-9,14-19,21-23,43-44H2,1H3,(H,49,60)(H,50,61)(H,51,62)(H,52,57)(H,53,58)(H,54,59)(H,55,63)(H,64,65)(H4,45,46,47)