Nh2-e-d-v-v-l-c-tic-nle-s-y-oh

Structural Information

Molecular Formula

C₅₆H₈₂N₁₀O₁₇S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C56H82N10O17S/c1-8-9-14-36(48(74)62-40(26-67)51(77)61-39(56(82)83)22-31-15-17-34(68)18-16-31)58-52(78)42-23-32-12-10-11-13-33(32)25-66(42)55(81)41(27-84)63-49(75)37(21-28(2)3)60-53(79)45(29(4)5)65-54(80)46(30(6)7)64-50(76)38(24-44(71)72)59-47(73)35(57)19-20-43(69)70/h10-13,15-18,28-30,35-42,45-46,67-68,84H,8-9,14,19-27,57H2,1-7H3,(H,58,78)(H,59,73)(H,60,79)(H,61,77)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,69,70)(H,71,72)(H,82,83)/t35-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

NTDSNJPKVSSVPA-BHFGMTAUSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(3S)-3-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 492193