Hdmnkvldl

Structural Information

Molecular Formula

C₄₆H₇₇N₁₃O₁₅S

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)N)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C46H77N13O15S/c1-22(2)14-29(58-44(71)37(50)24(5)6)40(67)57-32(19-36(63)64)43(70)59-33(15-23(3)4)46(73)74-45(72)28(10-8-9-12-47)54-41(68)30(17-34(49)60)56-39(66)27(11-13-75-7)53-42(69)31(18-35(61)62)55-38(65)26(48)16-25-20-51-21-52-25/h20-24,26-33,37H,8-19,47-48,50H2,1-7H3,(H2,49,60)(H,51,52)(H,53,69)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H,58,71)(H,59,70)(H,61,62)(H,63,64)/t26-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1

InChIKey

APVQHKQHSCNFIW-KSALCKNPSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 159557