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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C45H74N10O12S MolecularWeight: 979.19386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H74N10O12S/c1-22(2)17-30(40(61)54-36(25(7)8)44(65)53-33(21-68)42(63)55-35(24(5)6)43(64)51-31(45(66)67)18-23(3)4)50-41(62)32(20-56)52-39(60)29(15-16-34(47)57)49-37(58)26(9)48-38(59)28(46)19-27-13-11-10-12-14-27/h10-14,22-26,28-33,35-36,56,68H,15-21,46H2,1-9H3,(H2,47,57)(H,48,59)(H,49,58)(H,50,62)(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,63)(H,66,67)/t26-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1