(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C44H72N10O15S MolecularWeight: 1013.16548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H72N10O15S/c1-22(2)17-30(50-37(61)27(46)18-25-10-12-26(57)13-11-25)41(65)49-29(14-16-70-6)39(63)51-31(19-34(59)60)42(66)54-36(24(5)56)43(67)52-32(21-55)38(62)47-20-33(58)48-28(9-7-8-15-45)40(64)53-35(23(3)4)44(68)69/h10-13,22-24,27-32,35-36,55-57H,7-9,14-21,45-46H2,1-6H3,(H,47,62)(H,48,58)(H,49,65)(H,50,61)(H,51,63)(H,52,67)(H,53,64)(H,54,66)(H,59,60)(H,68,69)/t24-,27+,28+,29+,30+,31+,32+,35+,36+/m1/s1