Ac-asp-d-glu-leu-ile-3,3-diphenylalanine-cys-pro-3,3-diphenylalanine-asp-leu-nh2

Structural Information

Molecular Formula

C₅₇H₉₆N₁₂O₁₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C57H96N12O15S/c1-7-32(6)47(68-54(81)38(24-31(4)5)63-50(77)36(20-21-45(71)72)61-49(76)35(58)27-46(73)74)56(83)66-40(26-34-17-12-9-13-18-34)52(79)67-42(29-85)57(84)69-22-14-19-43(69)55(82)65-39(25-33-15-10-8-11-16-33)51(78)64-41(28-44(59)70)53(80)62-37(48(60)75)23-30(2)3/h30-43,47,85H,7-29,58H2,1-6H3,(H2,59,70)(H2,60,75)(H,61,76)(H,62,80)(H,63,77)(H,64,78)(H,65,82)(H,66,83)(H,67,79)(H,68,81)(H,71,72)(H,73,74)/t32-,35-,36+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1

InChIKey

ZHFVWMNGLYFURB-CWSAGDOOSA-N

Compound name

(4R)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485580