D[y]-rskr-(.b.cha)vqkd

Structural Information

Molecular Formula

C₅₈H₉₄N₁₈O₁₅

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(CC1=CC=CC=C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C58H94N18O15/c1-32(2)47(55(89)74-41(22-23-45(62)79)53(87)72-39(15-7-9-25-60)51(85)75-43(56(90)91)30-46(80)81)69-42(29-33-12-4-3-5-13-33)48(82)37(16-10-26-67-57(63)64)70-50(84)38(14-6-8-24-59)73-54(88)44(31-77)76-52(86)40(17-11-27-68-58(65)66)71-49(83)36(61)28-34-18-20-35(78)21-19-34/h3-5,12-13,18-21,32,36-44,47,69,77-78H,6-11,14-17,22-31,59-61H2,1-2H3,(H2,62,79)(H,70,84)(H,71,83)(H,72,87)(H,73,88)(H,74,89)(H,75,85)(H,76,86)(H,80,81)(H,90,91)(H4,63,64,67)(H4,65,66,68)/t36-,37+,38+,39+,40+,41+,42?,43+,44+,47+/m1/s1

InChIKey

NIXUUJRLYFVOFB-ORENCKDLSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-7-(diaminomethylideneamino)-3-oxo-1-phenylheptan-2-yl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]butanedioic acid

Related CIDs

• CID 455740