Nh2-e-d-v-v-abu-nal-s-abu-s-y-oh

Structural Information

Molecular Formula

C₅₆H₈₀N₁₀O₁₈

SMILES

CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C/C(=C/C2=CC=CC=C2C=C)/C)NC(=O)C(CC)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/C56H80N10O18/c1-9-32-14-12-13-15-33(32)22-30(8)23-38(50(77)64-41(26-67)52(79)58-36(10-2)49(76)63-42(27-68)53(80)62-40(56(83)84)24-31-16-18-34(69)19-17-31)61-48(75)37(11-3)59-54(81)45(28(4)5)66-55(82)46(29(6)7)65-51(78)39(25-44(72)73)60-47(74)35(57)20-21-43(70)71/h9,12-19,22,28-29,35-42,45-46,67-69H,1,10-11,20-21,23-27,57H2,2-8H3,(H,58,79)(H,59,81)(H,60,74)(H,61,75)(H,62,80)(H,63,76)(H,64,77)(H,65,78)(H,66,82)(H,70,71)(H,72,73)(H,83,84)/b30-22+/t35-,36?,37?,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

NZJWJVIOEGCPGU-BFUPCRNQSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[1-[[(E,2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(2-ethenylphenyl)-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxobutan-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 6476818