(2S)-6-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]prolyl]amino]hexanoic acid Formula: C63H91N17O14 MolecularWeight: 1310.50214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC(=O)N)N)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)N)N)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C63H91N17O14/c64-27-9-7-18-43(60(91)79-30-12-22-50(79)59(90)74-44(62(93)94)19-8-10-28-65)73-54(85)42(20-11-29-71-63(69)70)72-58(89)49-21-13-31-80(49)61(92)48(34-38-16-5-2-6-17-38)78-56(87)46(32-37-14-3-1-4-15-37)76-57(88)47(36-52(68)83)77-55(86)45(33-39-23-25-40(81)26-24-39)75-53(84)41(66)35-51(67)82/h1-6,14-17,23-26,41-50,81H,7-13,18-22,27-36,64-66H2,(H2,67,82)(H2,68,83)(H,72,89)(H,73,85)(H,74,90)(H,75,84)(H,76,88)(H,77,86)(H,78,87)(H,93,94)(H4,69,70,71)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1