H-e-d-v-v-abu-c-pip-abu-s-y-oh

Structural Information

Molecular Formula

C₄₈H₇₄N₁₀O₁₇S

SMILES

CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCCN2C(=O)[C@H](CS)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/C48H74N10O17S/c1-7-28(40(66)54-32(21-59)43(69)53-31(48(74)75)19-25-12-14-26(60)15-13-25)50-44(70)34-11-9-10-18-58(34)47(73)33(22-76)55-41(67)29(8-2)51-45(71)37(23(3)4)57-46(72)38(24(5)6)56-42(68)30(20-36(63)64)52-39(65)27(49)16-17-35(61)62/h12-15,23-24,27-34,37-38,59-60,76H,7-11,16-22,49H2,1-6H3,(H,50,70)(H,51,71)(H,52,65)(H,53,69)(H,54,66)(H,55,67)(H,56,68)(H,57,72)(H,61,62)(H,63,64)(H,74,75)/t27-,28?,29?,30-,31-,32-,33-,34?,37-,38-/m0/s1

InChIKey

ISASHBJRQAIPST-UMVDWWEESA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[1-[[(2R)-1-[2-[[1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxo-3-sulfanylpropan-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 492191