D-[nh-pro-ala-his-trp-pro-asn-trp-gln-asp-oh]

Structural Information

Molecular Formula

C₅₄H₆₇N₁₅O₁₄

SMILES

C[C@H](C(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N4CCC[C@@H]4C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC(=O)O)C(=O)O)NC(=O)[C@H]7CCCN7

InChI

InChI=1S/C54H67N15O14/c1-27(62-47(75)35-12-6-16-58-35)46(74)64-38(20-30-25-57-26-61-30)50(78)67-40(19-29-24-60-34-11-5-3-9-32(29)34)53(81)69-17-7-13-42(69)52(80)66-39(21-44(56)71)51(79)65-37(18-28-23-59-33-10-4-2-8-31(28)33)49(77)63-36(14-15-43(55)70)48(76)68-41(54(82)83)22-45(72)73/h2-5,8-11,23-27,35-42,58-60H,6-7,12-22H2,1H3,(H2,55,70)(H2,56,71)(H,57,61)(H,62,75)(H,63,77)(H,64,74)(H,65,79)(H,66,80)(H,67,78)(H,68,76)(H,72,73)(H,82,83)/t27-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1

InChIKey

QDPDMSFBFXPXTA-FYJBJSAPSA-N

Compound name

(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R)-1-[(2R)-2-[[(2R)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid

Related CIDs

• CID 6321045