S-(2-acetamidoethyl) (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(3R)-3-oxidanylbutanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanethioate

Systemtic Name: S-(2-acetamidoethyl) (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(3R)-3-oxidanylbutanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanethioate Openeye Name: S-(2-acetamidoethyl) (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3R)-3-hydroxybutanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanethioate CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3R)-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylpentanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3R)-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanethioate Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3R)-3-hydroxybutanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanethioic acid S-(2-acetamidoethyl) ester Formula: C45H81N9O11S MolecularWeight: 956.24334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)SCCNC(=O)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CC(C)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)SCCNC(=O)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C[C@@H](C)O

InChI

InChI=1S/C45H81N9O11S/c1-14-27(10)38(45(65)66-18-17-47-30(13)56)54-43(63)33(20-24(4)5)50-39(59)29(12)48-44(64)37(26(8)9)53-42(62)34(21-25(6)7)52-41(61)32(19-23(2)3)51-40(60)31(15-16-35(46)57)49-36(58)22-28(11)55/h23-29,31-34,37-38,55H,14-22H2,1-13H3,(H2,46,57)(H,47,56)(H,48,64)(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H,54,63)/t27?,28-,29+,31+,32+,33-,34-,37+,38+/m1/s1