Ashlpyieqg-nh2

Structural Information

Molecular Formula

C₅₀H₇₆N₁₄O₁₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)NC(=O)[C@H](C)N

InChI

InChI=1S/C50H76N14O15/c1-6-26(4)41(49(78)58-32(14-16-40(69)70)44(73)57-31(13-15-38(52)67)43(72)55-22-39(53)68)63-46(75)33(19-28-9-11-30(66)12-10-28)60-48(77)37-8-7-17-64(37)50(79)35(18-25(2)3)61-45(74)34(20-29-21-54-24-56-29)59-47(76)36(23-65)62-42(71)27(5)51/h9-12,21,24-27,31-37,41,65-66H,6-8,13-20,22-23,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,56)(H,55,72)(H,57,73)(H,58,78)(H,59,76)(H,60,77)(H,61,74)(H,62,71)(H,63,75)(H,69,70)/t26-,27-,31-,32-,33-,34-,35-,36-,37-,41-/m0/s1

InChIKey

UUUVROQSYZINEY-FUCAHVLNSA-N

Compound name

(4S)-5-[[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 497832