(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]proline Formula: C39H59N9O13S MolecularWeight: 894.00326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)O)N

InChI

InChI=1S/C39H59N9O13S/c1-5-20(2)31(41)36(57)45-25(17-28(40)50)35(56)47-32(21(3)49)37(58)42-19-29(51)43-23(13-15-62-4)33(54)44-24(16-22-10-7-6-8-11-22)34(55)46-26(18-30(52)53)38(59)48-14-9-12-27(48)39(60)61/h6-8,10-11,20-21,23-27,31-32,49H,5,9,12-19,41H2,1-4H3,(H2,40,50)(H,42,58)(H,43,51)(H,44,54)(H,45,57)(H,46,55)(H,47,56)(H,52,53)(H,60,61)/t20-,21+,23-,24-,25-,26-,27-,31-,32-/m0/s1