6-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[5-amino-2-[[5-guanidino-2-[[5-guanidino-2-[[4-methyl-2-[[3-phenyl-2-[[2-[[2-(tyrosylamino)acetyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C60H90N18O13 MolecularWeight: 1271.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C60H90N18O13/c1-35(2)29-45(77-56(88)46(31-36-13-5-3-6-14-36)72-50(82)34-70-49(81)33-71-51(83)40(62)30-38-20-22-39(79)23-21-38)55(87)74-42(19-12-28-69-60(66)67)52(84)73-41(18-11-27-68-59(64)65)53(85)75-43(24-25-48(63)80)54(86)78-47(32-37-15-7-4-8-16-37)57(89)76-44(58(90)91)17-9-10-26-61/h3-8,13-16,20-23,35,40-47,79H,9-12,17-19,24-34,61-62H2,1-2H3,(H2,63,80)(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,87)(H,75,85)(H,76,89)(H,77,88)(H,78,86)(H,90,91)(H4,64,65,68)(H4,66,67,69)