2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C30H53N9O12 MolecularWeight: 731.79492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C30H53N9O12/c1-7-13(3)22(28(49)34-11-21(44)45)38-30(51)24(16(6)41)39-29(50)23(14(4)8-2)37-25(46)15(5)35-20(43)10-33-27(48)18(12-40)36-26(47)17(31)9-19(32)42/h13-18,22-24,40-41H,7-12,31H2,1-6H3,(H2,32,42)(H,33,48)(H,34,49)(H,35,43)(H,36,47)(H,37,46)(H,38,51)(H,39,50)(H,44,45)/t13-,14-,15-,16+,17-,18-,22-,23-,24-/m0/s1