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

Structural Information

Molecular Formula

C₄₇H₇₃N₉O₁₅S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=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/C47H73N9O15S/c1-8-9-14-29(40(63)52-32(21-57)47(70)71)49-43(66)34-18-26-12-10-11-13-27(26)20-56(34)46(69)33(22-72)53-41(64)30(17-23(2)3)51-44(67)37(24(4)5)55-45(68)38(25(6)7)54-42(65)31(19-36(60)61)50-39(62)28(48)15-16-35(58)59/h10-13,23-25,28-34,37-38,57,72H,8-9,14-22,48H2,1-7H3,(H,49,66)(H,50,62)(H,51,67)(H,52,63)(H,53,64)(H,54,65)(H,55,68)(H,58,59)(H,60,61)(H,70,71)/t28-,29-,30-,31-,32-,33-,34-,37-,38-/m0/s1

InChIKey

FEHYHGYFPCHASL-YTSLXVCZSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(3S)-3-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]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 492360