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

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C41H65N11O15S MolecularWeight: 984.0845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H65N11O15S/c1-20(2)13-25(37(62)50-27(41(66)67)15-30(43)56)47-31(57)16-44-36(61)28(18-53)48-32(58)17-45-40(65)33(22(4)55)52-38(63)26(14-23-9-7-6-8-10-23)49-34(59)21(3)46-39(64)29(19-54)51-35(60)24(42)11-12-68-5/h6-10,20-22,24-29,33,53-55H,11-19,42H2,1-5H3,(H2,43,56)(H,44,61)(H,45,65)(H,46,64)(H,47,57)(H,48,58)(H,49,59)(H,50,62)(H,51,60)(H,52,63)(H,66,67)/t21-,22+,24-,25-,26-,27-,28-,29-,33-/m0/s1