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

Structural Information

Molecular Formula

C₅₃H₉₁N₁₉O₁₆

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(=O)CCNC(=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](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C53H91N19O16/c1-28(2)42(50(86)69-36(17-18-39(57)75)48(84)67-34(10-4-6-21-55)46(82)70-37(51(87)88)26-41(77)78)72-40(76)19-24-62-44(80)32(11-7-22-63-52(58)59)66-45(81)33(9-3-5-20-54)68-49(85)38(27-73)71-47(83)35(12-8-23-64-53(60)61)65-43(79)31(56)25-29-13-15-30(74)16-14-29/h13-16,28,31-38,42,73-74H,3-12,17-27,54-56H2,1-2H3,(H2,57,75)(H,62,80)(H,65,79)(H,66,81)(H,67,84)(H,68,85)(H,69,86)(H,70,82)(H,71,83)(H,72,76)(H,77,78)(H,87,88)(H4,58,59,63)(H4,60,61,64)/t31-,32+,33+,34+,35+,36+,37+,38+,42+/m1/s1

InChIKey

KXFNALUCCSKPTD-UUCKGOJTSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[3-[[(2S)-2-[[(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]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]butanedioic acid

Related CIDs

• CID 455739