Truncated hcc-1

Structural Information

Molecular Formula

C₅₄H₇₃N₁₃O₁₇S₂

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H]5CCCN5C(=O)CN)O

InChI

InChI=1S/C54H73N13O17S2/c1-28(69)44(54(83)84)65-47(76)35(19-29-7-3-2-4-8-29)59-49(78)38(25-85)64-50(79)39(26-86)63-45(74)33(15-16-43(72)73)58-48(77)37(24-68)62-52(81)41-10-6-18-67(41)53(82)36(21-31-23-56-27-57-31)61-46(75)34(20-30-11-13-32(70)14-12-30)60-51(80)40-9-5-17-66(40)42(71)22-55/h2-4,7-8,11-14,23,27-28,33-41,44,68-70,85-86H,5-6,9-10,15-22,24-26,55H2,1H3,(H,56,57)(H,58,77)(H,59,78)(H,60,80)(H,61,75)(H,62,81)(H,63,74)(H,64,79)(H,65,76)(H,72,73)(H,83,84)/t28-,33+,34+,35+,36+,37+,38+,39+,40+,41+,44+/m1/s1

InChIKey

LXPBLKOXVVMMLL-AZFRGOPXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 482146