Nqvsltclvk

Structural Information

Molecular Formula

C₄₇H₈₅N₁₃O₁₅S

SMILES

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

InChI

InChI=1S/C47H85N13O15S/c1-21(2)16-29(40(67)59-35(23(5)6)44(71)53-28(47(74)75)12-10-11-15-48)55-43(70)32(20-76)57-46(73)37(25(9)62)60-41(68)30(17-22(3)4)54-42(69)31(19-61)56-45(72)36(24(7)8)58-39(66)27(13-14-33(50)63)52-38(65)26(49)18-34(51)64/h21-32,35-37,61-62,76H,10-20,48-49H2,1-9H3,(H2,50,63)(H2,51,64)(H,52,65)(H,53,71)(H,54,69)(H,55,70)(H,56,72)(H,57,73)(H,58,66)(H,59,67)(H,60,68)(H,74,75)/t25-,26+,27+,28+,29+,30+,31+,32+,35+,36+,37+/m1/s1

InChIKey

UHWYNRUUZORUJL-WOOOTXSOSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid

Related CIDs

• CID 52934933