(4S)-4-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-5-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(glycylamino)-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-5-keto-valeric acid Formula: C43H69N13O18 MolecularWeight: 1056.08426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)CN

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN)O

InChI

InChI=1S/C43H69N13O18/c1-20(2)14-27(49-31(59)17-45)40(70)53-25(8-11-32(60)61)38(68)54-28(15-22-18-47-19-48-22)41(71)55-29(16-34(64)65)42(72)50-23(6-4-5-13-44)36(66)51-24(7-10-30(46)58)37(67)52-26(9-12-33(62)63)39(69)56-35(21(3)57)43(73)74/h18-21,23-29,35,57H,4-17,44-45H2,1-3H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,72)(H,51,66)(H,52,67)(H,53,70)(H,54,68)(H,55,71)(H,56,69)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t21-,23+,24+,25+,26+,27+,28+,29+,35+/m1/s1