2-[[2-[[6-azanyl-2-[[2-[[2-[[5-azanyl-2-[[2-[[1-[2-[[6-azanyl-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[2-[[2-[[5-azanyl-2-[[2-[[1-[2-[[6-azanyl-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[1-[2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[[1-[2-[[6-amino-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]hexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[1-[2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[1-[2-[[6-amino-2-(pyroglutamoylamino)hexanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C60H100N20O17 MolecularWeight: 1373.5598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C3CCC(=O)N3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C3CCC(=O)N3

InChI

InChI=1S/C60H100N20O17/c1-32(2)28-42(58(96)97)77-53(91)41(29-33-15-17-34(83)18-16-33)76-49(87)36(11-4-6-24-62)73-54(92)43(30-81)78-50(88)37(12-7-25-68-59(64)65)72-52(90)39(19-21-46(63)84)74-55(93)44(31-82)79-56(94)45-14-9-27-80(45)57(95)40(13-8-26-69-60(66)67)75-48(86)35(10-3-5-23-61)71-51(89)38-20-22-47(85)70-38/h15-18,32,35-45,81-83H,3-14,19-31,61-62H2,1-2H3,(H2,63,84)(H,70,85)(H,71,89)(H,72,90)(H,73,92)(H,74,93)(H,75,86)(H,76,87)(H,77,91)(H,78,88)(H,79,94)(H,96,97)(H4,64,65,68)(H4,66,67,69)