2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(1-glycylprolyl)amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]glutaric acid Formula: C55H76N16O15 MolecularWeight: 1201.29014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C5CCCN5C(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C5CCCN5C(=O)CN

InChI

InChI=1S/C55H76N16O15/c1-29(2)19-38(67-48(79)36(9-5-17-60-55(57)58)65-53(84)43-10-6-18-71(43)45(75)23-56)47(78)62-26-44(74)64-39(20-30-11-13-33(73)14-12-30)49(80)70-42(27-72)52(83)68-40(21-31-24-61-35-8-4-3-7-34(31)35)50(81)69-41(22-32-25-59-28-63-32)51(82)66-37(54(85)86)15-16-46(76)77/h3-4,7-8,11-14,24-25,28-29,36-43,61,72-73H,5-6,9-10,15-23,26-27,56H2,1-2H3,(H,59,63)(H,62,78)(H,64,74)(H,65,84)(H,66,82)(H,67,79)(H,68,83)(H,69,81)(H,70,80)(H,76,77)(H,85,86)(H4,57,58,60)