Kelyplts

Structural Information

Molecular Formula

C₄₄H₇₁N₉O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C44H71N9O14/c1-23(2)19-30(48-38(60)29(15-16-35(57)58)47-37(59)28(46)9-6-7-17-45)39(61)50-32(21-26-11-13-27(56)14-12-26)43(65)53-18-8-10-34(53)41(63)49-31(20-24(3)4)40(62)52-36(25(5)55)42(64)51-33(22-54)44(66)67/h11-14,23-25,28-34,36,54-56H,6-10,15-22,45-46H2,1-5H3,(H,47,59)(H,48,60)(H,49,63)(H,50,61)(H,51,64)(H,52,62)(H,57,58)(H,66,67)/t25-,28+,29+,30+,31+,32+,33+,34+,36+/m1/s1

InChIKey

WGNMLGIRCDAFMS-BKSWZADCSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 476694