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

Systemtic Name: (4S)-5-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S,2R)-1-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3R)-1-[[(2S)-6-amino-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S,3R)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2R)-1-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid Formula: C37H65N9O13 MolecularWeight: 843.9645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C37H65N9O13/c1-18(2)16-22(39)31(52)43-25(17-47)33(54)41-23(12-13-27(49)50)32(53)45-29(21(6)48)35(56)42-24(10-7-8-14-38)36(57)46-15-9-11-26(46)34(55)40-20(5)30(51)44-28(19(3)4)37(58)59/h18-26,28-29,47-48H,7-17,38-39H2,1-6H3,(H,40,55)(H,41,54)(H,42,56)(H,43,52)(H,44,51)(H,45,53)(H,49,50)(H,58,59)/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1