(2S)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]succinic acid Formula: C40H67N9O16 MolecularWeight: 930.01068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C40H67N9O16/c1-8-20(6)32(39(63)48-27(40(64)65)17-31(55)56)49-37(61)23(9-12-28(42)50)46-38(62)26(16-19(4)5)47-36(60)25(11-14-30(53)54)44-33(57)21(7)43-35(59)24(10-13-29(51)52)45-34(58)22(41)15-18(2)3/h18-27,32H,8-17,41H2,1-7H3,(H2,42,50)(H,43,59)(H,44,57)(H,45,58)(H,46,62)(H,47,60)(H,48,63)(H,49,61)(H,51,52)(H,53,54)(H,55,56)(H,64,65)/t20-,21-,22-,23-,24-,25-,26-,27-,32-/m0/s1