(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]prolyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]glutaric acid Formula: C40H67N9O14 MolecularWeight: 898.01188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)C)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C40H67N9O14/c1-19(2)16-24(32(54)47-31(21(5)6)37(59)43-23(40(62)63)12-13-29(52)53)44-34(56)28-11-9-15-49(28)39(61)26(18-51)46-35(57)27-10-8-14-48(27)38(60)22(7)42-33(55)25(17-50)45-36(58)30(41)20(3)4/h19-28,30-31,50-51H,8-18,41H2,1-7H3,(H,42,55)(H,43,59)(H,44,56)(H,45,58)(H,46,57)(H,47,54)(H,52,53)(H,62,63)/t22-,23-,24-,25-,26-,27-,28-,30-,31-/m0/s1