Primary record
CID9917435
- CAS
- 156161-89-6
- PubChem CID
- 9917435
- SMILES
- CCCC[C@H](C(=O)O)NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3C(CCCC3C)C
- Molecular Formula
- C34H51N5O7
- Molecular Weight
- 641.81
- Exact Mass
- 641.3788
- InChI
- InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21?,22?,25-,26-,27+/m1/s1
- InChIKey
- LPAHKJMGDSJDRG-RJTBUBHNSA-N
- LogP
- 4.82
- TPSA
- 159.07
Names and synonyms
- SCHEMBL30517298
- CID9917435
- CID 5311032
- PD129349
- J2.430.544I
- (2R)-2-[(2R)-2-[(2S)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoic acid
- 156161-89-6
- N-[N-[N-[(2,6-dimethyl-1-piperidinyl)carbonyl]-4-methyl-l-leucyl]-1-(methoxycarbonyl)-d-tryptophyl]-d-norleucine
- N-[N-[N-[(2,6-Dimethylpiperidino)carbonyl]-4-methyl-L-Leu-]-1-(methoxycarbonyl)-D-Trp-]-D-Nle-OH