2-[[2-[2-[[2-[[2-[[2-[[2-[2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[3-hydroxy-2-[[4-methyl-2-(tyrosylamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]acetic acid Formula: C63H102N16O15 MolecularWeight: 1323.58218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C63H102N16O15/c1-34(2)26-45(56(88)70-32-51(83)84)74-53(85)38(9)71-58(90)48(30-39-16-11-10-12-17-39)77-62(94)52(37(7)8)79-60(92)47(28-36(5)6)76-57(89)44(19-15-25-68-63(66)67)72-50(82)31-69-55(87)43(18-13-14-24-64)73-61(93)49(33-80)78-59(91)46(27-35(3)4)75-54(86)42(65)29-40-20-22-41(81)23-21-40/h10-12,16-17,20-23,34-38,42-49,52,80-81H,13-15,18-19,24-33,64-65H2,1-9H3,(H,69,87)(H,70,88)(H,71,90)(H,72,82)(H,73,93)(H,74,85)(H,75,86)(H,76,89)(H,77,94)(H,78,91)(H,79,92)(H,83,84)(H4,66,67,68)