(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-amino-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-amino-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-amino-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C43H68N10O13S MolecularWeight: 965.12422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H68N10O13S/c1-8-23(4)35(52-37(59)27(47-25(6)55)14-15-32(44)56)41(63)46-21-34(58)48-28(16-17-67-7)38(60)53-36(24(5)54)42(64)50-29(18-22(2)3)39(61)49-30(20-33(45)57)40(62)51-31(43(65)66)19-26-12-10-9-11-13-26/h9-13,22-24,27-31,35-36,54H,8,14-21H2,1-7H3,(H2,44,56)(H2,45,57)(H,46,63)(H,47,55)(H,48,58)(H,49,61)(H,50,64)(H,51,62)(H,52,59)(H,53,60)(H,65,66)/t23-,24+,27-,28-,29-,30-,31-,35-,36-/m0/s1