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

Systemtic Name: (2S,3S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]-4-(methylthio)butanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C49H79N11O15S2 MolecularWeight: 1126.34626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H79N11O15S2/c1-8-26(5)39(48(73)56-33(21-28-13-11-10-12-14-28)42(67)52-22-36(63)58-40(49(74)75)27(6)9-2)60-47(72)38(25(3)4)59-45(70)30(15-17-35(51)62)54-44(69)32(19-20-77-7)55-46(71)34(24-76)57-43(68)31(16-18-37(64)65)53-41(66)29(50)23-61/h10-14,25-27,29-34,38-40,61,76H,8-9,15-24,50H2,1-7H3,(H2,51,62)(H,52,67)(H,53,66)(H,54,69)(H,55,71)(H,56,73)(H,57,68)(H,58,63)(H,59,70)(H,60,72)(H,64,65)(H,74,75)/t26-,27-,29-,30-,31-,32-,33-,34-,38-,39-,40-/m0/s1