(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-keto-valeric acid Formula: C40H65N9O14 MolecularWeight: 895.996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C40H65N9O14/c1-7-19(2)30(47-33(55)20(3)42)37(59)49-32(23(6)51)39(61)45-27(15-16-29(53)54)35(57)46-28(18-24-11-13-25(52)14-12-24)36(58)48-31(22(5)50)38(60)44-26(10-8-9-17-41)34(56)43-21(4)40(62)63/h11-14,19-23,26-28,30-32,50-52H,7-10,15-18,41-42H2,1-6H3,(H,43,56)(H,44,60)(H,45,61)(H,46,57)(H,47,55)(H,48,58)(H,49,59)(H,53,54)(H,62,63)/t19-,20-,21-,22+,23+,26-,27-,28-,30-,31-,32-/m0/s1