Ctlnfpispi

Structural Information

Molecular Formula

C₅₁H₈₁N₁₁O₁₄S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C51H81N11O14S/c1-8-27(5)39(47(71)57-35(24-63)50(74)62-20-14-18-37(62)46(70)59-40(51(75)76)28(6)9-2)58-45(69)36-17-13-19-61(36)49(73)34(22-30-15-11-10-12-16-30)56-44(68)33(23-38(53)65)54-43(67)32(21-26(3)4)55-48(72)41(29(7)64)60-42(66)31(52)25-77/h10-12,15-16,26-29,31-37,39-41,63-64,77H,8-9,13-14,17-25,52H2,1-7H3,(H2,53,65)(H,54,67)(H,55,72)(H,56,68)(H,57,71)(H,58,69)(H,59,70)(H,60,66)(H,75,76)/t27-,28-,29+,31-,32-,33-,34-,35-,36-,37-,39-,40-,41-/m0/s1

InChIKey

WGVDJIBYBVRHNW-ORDLWWSDSA-N

Compound name

(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 472198