(2S)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]glutaric acid Formula: C42H65N11O15 MolecularWeight: 964.0302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C42H65N11O15/c1-5-22(4)35(53-36(61)24(43)16-23-9-7-6-8-10-23)41(66)52-28(17-31(45)56)38(63)47-19-33(58)49-29(20-54)40(65)50-25(11-13-30(44)55)39(64)51-27(15-21(2)3)37(62)46-18-32(57)48-26(42(67)68)12-14-34(59)60/h6-10,21-22,24-29,35,54H,5,11-20,43H2,1-4H3,(H2,44,55)(H2,45,56)(H,46,62)(H,47,63)(H,48,57)(H,49,58)(H,50,65)(H,51,64)(H,52,66)(H,53,61)(H,59,60)(H,67,68)/t22-,24-,25-,26-,27-,28-,29-,35-/m0/s1